N-[(2S)-butan-2-yl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-4-15(2)23-20(26)14-29-22-24-19-8-6-5-7-18(19)21(27)25(22)13-16-9-11-17(28-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1